BDBM50164681 CHEMBL3797529

SMILES: NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N

InChI Key: InChIKey=QAAPGSLXWSJEEX-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50164681   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid sci...				J Med Chem 59: 2989-3002 (2016) BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50164681 (CHEMBL3797529) Show SMILES NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N Show InChI InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of 5-HT 1A receptor (unknown origin)				J Med Chem 59: 2989-3002 (2016) BindingDB Entry DOI: 10.7270/Q20G3N2B
					More data for this Ligand-Target Pair